@MOLECULE atrovirisidone 57 59 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.8094 -0.9583 -1.6063 O.3 1 UNL1111111111 -0.3255 2 O 1.3474 1.7666 -1.1469 O.3 1 UNL1111111111 -0.2881 3 O -0.8040 3.3520 -0.0213 O.3 1 UNL1111111111 -0.2435 4 O -2.9729 2.2287 0.7307 O.3 1 UNL1111111111 -0.4389 5 O 2.6333 -2.1168 -1.5535 O.2 1 UNL1111111111 -0.5300 6 O 4.4877 -1.6285 0.2504 O.3 1 UNL1111111111 -0.4583 7 O 4.8982 2.8411 1.6718 O.3 1 UNL1111111111 -0.4500 8 C -1.2277 -0.7952 -0.4419 C.ar 1 UNL1111111111 -0.0048 9 C -2.2229 0.0008 0.1426 C.ar 1 UNL1111111111 -0.0990 10 C -0.0653 -0.1724 -0.8976 C.ar 1 UNL1111111111 0.1081 11 C -1.3410 -2.2839 -0.5650 C.3 1 UNL1111111111 -0.2554 12 C -3.4794 -0.5903 0.7077 C.3 1 UNL1111111111 -0.2645 13 C 0.1540 1.1979 -0.7401 C.ar 1 UNL1111111111 0.0330 14 C -2.0455 1.3859 0.2112 C.ar 1 UNL1111111111 0.1818 15 C -0.8487 2.0123 -0.2171 C.ar 1 UNL1111111111 0.1187 16 C -0.7833 -2.9196 0.6699 C.2 1 UNL1111111111 -0.2435 17 C -4.6424 -0.2901 -0.1825 C.2 1 UNL1111111111 -0.2341 18 C 2.4086 1.3032 -0.3972 C.ar 1 UNL1111111111 0.3987 19 C 2.7925 -0.0499 -0.4322 C.ar 1 UNL1111111111 -0.4852 20 C 2.1084 -1.0778 -1.1917 C.2 1 UNL1111111111 0.6696 21 C 0.0800 -3.9441 0.6728 C.2 1 UNL1111111111 0.0727 22 C -5.8340 0.1703 0.2184 C.2 1 UNL1111111111 0.0458 23 C 3.9816 -0.3942 0.2600 C.ar 1 UNL1111111111 0.4748 24 C 3.1177 2.2704 0.2948 C.ar 1 UNL1111111111 -0.4047 25 C 4.2624 1.8618 1.0002 C.ar 1 UNL1111111111 0.4268 26 C 4.7100 0.5440 1.0029 C.ar 1 UNL1111111111 -0.4785 27 C 0.6107 -4.4982 1.9557 C.3 1 UNL1111111111 -0.4614 28 C 0.5870 -4.6025 -0.5648 C.3 1 UNL1111111111 -0.4706 29 C -6.9252 0.4316 -0.7698 C.3 1 UNL1111111111 -0.4606 30 C -6.2061 0.4635 1.6329 C.3 1 UNL1111111111 -0.4655 31 C 0.0609 4.0783 -0.8918 C.3 1 UNL1111111111 -0.2100 32 H -2.3947 -2.6027 -0.7198 H 1 UNL1111111111 0.1550 33 H -0.8117 -2.6354 -1.4812 H 1 UNL1111111111 0.1747 34 H -3.3891 -1.6956 0.8291 H 1 UNL1111111111 0.1736 35 H -3.6304 -0.2245 1.7480 H 1 UNL1111111111 0.1545 36 H -1.1262 -2.4693 1.5991 H 1 UNL1111111111 0.1492 37 H -4.4450 -0.4878 -1.2378 H 1 UNL1111111111 0.1614 38 H 2.8066 3.3113 0.3108 H 1 UNL1111111111 0.2011 39 H -3.8712 1.8014 0.7736 H 1 UNL1111111111 0.3340 40 H 5.5989 0.2305 1.5378 H 1 UNL1111111111 0.1931 41 H 0.2000 -3.9965 2.8409 H 1 UNL1111111111 0.1496 42 H 0.3811 -5.5682 2.0526 H 1 UNL1111111111 0.1540 43 H 1.7047 -4.3923 2.0036 H 1 UNL1111111111 0.1589 44 H -0.2314 -5.0135 -1.1707 H 1 UNL1111111111 0.1542 45 H 1.1320 -3.8825 -1.2039 H 1 UNL1111111111 0.1858 46 H 1.2824 -5.4249 -0.3597 H 1 UNL1111111111 0.1501 47 H -6.5932 0.3243 -1.8112 H 1 UNL1111111111 0.1557 48 H -7.7627 -0.2667 -0.6269 H 1 UNL1111111111 0.1580 49 H -7.3297 1.4482 -0.6654 H 1 UNL1111111111 0.1573 50 H -5.4379 0.1698 2.3599 H 1 UNL1111111111 0.1539 51 H -6.4041 1.5355 1.7800 H 1 UNL1111111111 0.1589 52 H -7.1253 -0.0705 1.9182 H 1 UNL1111111111 0.1613 53 H 1.0882 4.0290 -0.5173 H 1 UNL1111111111 0.1405 54 H -0.3356 5.0986 -0.8100 H 1 UNL1111111111 0.1456 55 H 0.0037 3.7249 -1.9255 H 1 UNL1111111111 0.1437 56 H 3.9981 -2.2331 -0.4049 H 1 UNL1111111111 0.3814 57 H 5.6966 2.5134 2.1619 H 1 UNL1111111111 0.3369 @BOND 1 1 10 1 2 1 20 1 3 2 13 1 4 2 18 1 5 3 15 1 6 3 31 1 7 4 14 1 8 4 39 1 9 5 20 2 10 6 23 1 11 6 56 1 12 7 25 1 13 7 57 1 14 8 9 ar 15 8 10 ar 16 8 11 1 17 9 12 1 18 9 14 ar 19 10 13 ar 20 11 16 1 21 11 32 1 22 11 33 1 23 12 17 1 24 12 34 1 25 12 35 1 26 13 15 ar 27 14 15 ar 28 16 21 2 29 16 36 1 30 17 22 2 31 17 37 1 32 18 19 ar 33 18 24 ar 34 19 20 1 35 19 23 ar 36 21 27 1 37 21 28 1 38 22 29 1 39 22 30 1 40 23 26 ar 41 24 25 ar 42 24 38 1 43 25 26 ar 44 26 40 1 45 27 41 1 46 27 42 1 47 27 43 1 48 28 44 1 49 28 45 1 50 28 46 1 51 29 47 1 52 29 48 1 53 29 49 1 54 30 50 1 55 30 51 1 56 30 52 1 57 31 53 1 58 31 54 1 59 31 55 1